B6IEX3 -OEChem-04012116542D 47 52 0 0 0 0 0 0 0999 V2000 7.3471 -0.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2626 3.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9307 -1.0735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6738 -3.3287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -3.6334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 -2.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 -0.8287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8769 -0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8812 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9307 0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6738 -2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3471 -0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8078 -1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9418 -2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2036 -2.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6255 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7245 1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 -1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8078 -3.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9418 -3.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4688 2.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2097 -2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 1.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 -1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 -0.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0005 -3.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0118 -3.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2097 -0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0069 3.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0039 -1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4938 -0.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8078 -1.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8236 -2.8287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2148 0.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1352 1.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8078 -4.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4048 -3.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8808 2.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6127 -0.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4146 -3.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7018 -3.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2097 0.2913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4209 3.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4683 4.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 4.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 22 1 0 0 0 0 2 30 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 16 2 0 0 0 0 6 25 1 0 0 0 0 6 28 1 0 0 0 0 6 42 1 0 0 0 0 7 25 2 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 16 34 1 0 0 0 0 17 24 2 0 0 0 0 17 35 1 0 0 0 0 18 22 2 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 24 39 1 0 0 0 0 26 29 2 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$